Chemical Activation Research Articles

Zein/fucoidan-coated phytol nanoliposome: preparation, characterization, physicochemical stability, in vitro release, and antioxidant activity.

To improve phytol bioavailability, a novel method of magnetic stirring and high-pressure homogenization (HPH) combination was used to prepare zein/fucoidan-coated phytol nanoliposomes (P-NL-ZF). The characterization, the simulated in vitro digestion, and the antioxidant activity of these phytol nanoliposomes from the different processes have been studied. Based on the results of dynamic light scattering (DLS) and gas chromatography-mass spectrometer (GC-MS) analysis, P-NL-ZF prepared through the combination of magnetic stirring and HPH exhibited superior encapsulation efficiency at 76.19% and demonstrated exceptional physicochemical stability under a series of conditions, including storage, pH, and ionic in comparison to single method. It was further confirmed that P-NL-ZF by magnetic stirring and HPH displayed a uniform distribution and regular shape through transmission electron microscopy (TEM). Fourier-transform infrared (FTIR) spectroscopy and differential scanning calorimetry (DSC) analysis showed that electrostatic interactions and hydrogen bonding were the primary driving forces for the formation of composite nanoliposomes. Additionally, an in vitro digestion study revealed that multilayer composite nanoliposomes displayed significant and favorable slow-release properties (58.21%) under gastrointestinal conditions compared with traditional nanoliposomes (82.36%) and free phytol (89.73%). The assessments of chemical and cell-based antioxidant activities demonstrated that the coating of zein/fucoidan on phytol nanoliposomes resulted in enhanced effectiveness in scavenging activity of ABTS free radical and hydroxyl radical and mitigating oxidative damage to HepG2 cells. Based on our studies, the promising delivery carrier of zein/fucoidan-coated nanoliposomes is contributed to the encapsulation of hydrophobic natural products and enhancement of their biological activity. © 2024 Society of Chemical Industry.

Enhancing Building Energy Efficiency: Leaf Transpiration Inspired Construction of Lignin-Based Wood Plastic Composites for Building Energy Conservation

Incorporating phase change materials (PCMs) into buildings represents a strategic method for reducing reliance on air conditioning systems and decreasing energy usage consequently. Inspired by leaf veins providing channels for transpiration, lignin porous carbon (LPC) was synthesized by chemical activation, showing a vein pore structure. The capillary network system of the LPC provided more channel to adsorb PCM through surface tension and capillary force, achieving an impressive loading capacity of LPC for polyethylene glycol (PEG) (75%), which demonstrated exceptional heat storage capability (133.21 J/g). The lignin-derived wood-plastic composite (L-WPC) was further prepared. With the gradual increase of LPC/PEG, the latent heat of L-WPC increased gradually. The ΔHm, ΔHc and energy storage efficiency of L-WPC-50 (incorporated 50 wt% LPC/PEG-75) reached 39.99 J/g, 42.65 J/g and 90.26%, respectively. The vein pore structure of LPC also provided a thermal conductivity link for L-WPC. L-WPC-50 demonstrated an increased thermal conductivity (0.66 W/(m·K)) and a reduced thermal diffusion coefficient (0.24 mm2/s), optimizing the effectiveness of the phase transition. Additionally, L-WPC-50 displayed satisfactory mechanical properties and dimensional stability, with tensile strength, bending modulus and water absorption thickness swelling rate measuring 14.40 MPa, 1043.72 MPa, and 1.61% respectively. It introduced a feasible approach for utilizing biomass in enhancing building energy efficiency, marking a significant stride towards reducing building energy consumption and advocating sustainable energy practices.

Advances on anticancer fungal metabolites: sources, chemical and biological activities in the last decade (2012–2023)

Among microorganisms, fungi are the ones that have the most imagination in producing secondary metabolites with the most varied structural differences, which are produced through different biosynthetic pathways. Therefore, they synthesize secondary metabolites classifiable into numerous families of natural compounds such as amino acids, alkaloids, anthraquinones, aromatic compounds, cyclohexene epoxides, furanones, macrolides, naphthoquinones, polyketides, pyrones, terpenes, etc. They also produced metabolites with very complex structures that can not be classified in the known families of natural compounds. Many fungal metabolites show different biological activities with potential applications in agriculture, food chemistry, cosmetics, pharmacology and medicine. This review is focused on the fungal secondary metabolites with anticancer activity isolated in the last ten years. For some metabolites, when described, their biosynthetic origin, the mode of action and the results of structure activity relationships studies are also reported.Graphical

Recruitment of cortical silent responses by forskolin in the anterior cingulate cortex of adult mice.

Recent studies using different experimental approaches demonstrate that silent synapses may exist in adult cortex including the sensory cortex and anterior cingulate cortex (ACC). Postsynaptic form of long-term potentiation (LTP) in the ACC recruits some of these silent synapses and the activity of calcium-stimulated adenylyl cyclases (ACs) is required for such recruitment. It is unknown if chemical activation of ACs may recruit silent synapses. In this study, we found that activation of ACs contributed to synaptic potentiation in the ACC of adult mice. Forskolin, a selective activator of ACs, recruited silent responses in the ACC of adult mice. The recruitment was long-lasting. Interestingly, the effect of forskolin was not universal, some silent synapses did not undergo potentiation or recruitment. These findings suggest that these adult cortical synapses are not homogenous. The application of a selective calcium-permeable AMPA receptor inhibitor 1-naphthyl acetyl spermine (NASPM) reversed the potentiation and the recruitment of silent responses, indicating that AMPA receptor is required. Our results strongly suggest that the AC-dependent postsynaptic AMPA receptor contributes to the recruitment of silent responses at cortical LTP.

Evaluation of LEED-certified office buildings in Turkey in terms of sustainable material use

Environmental issues such as ozone depletion, global warming, water pollution, and melting glaciers in the polar regions have been exacerbated by industrial and chemical activities, as the Industrial Revolution led to unlimited use of our limited natural resources. Approaches have been developed to solve human and environmental health problems. Efforts are underway to minimize the adverse effects of buildings on the environment. This process helps reduce materials' environmental damage and select environmentally friendly materials. For these reasons, producing recyclable, ecologically friendly, and energy-saving materials has gained importance. This article used a case study method to analyze sustainable material usage using twenty LEED-certified office projects in Turkey. Twenty new buildings, including Certificate One, Silver Three, Gold Eight, and Platinum Eight, have been evaluated regarding sustainable materials according to LEED criteria. Tables containing material and resource application principles have been created to assess the selected buildings in terms of sustainable material principles, and these prepared tables provide information about sustainable material use. The evaluation is based on eight criteria and sources of LEED material, including recyclable materials, renewable materials, rapidly renewable, certified wood, regional materials, construction waste management, and re-use of materials. As a result of the study, it was determined that 95% to 75% of the five categories with the weakest application among the eight basic materials and resource principles failed to be below the desired level and should be improved.

Assessing the Environmental Sustainability of UHPC in Modern Construction Practices

A comprehensive examination was undertaken to investigate various aspects related to the development and application of Ultra-High-Performance Concrete (UHPC). The research explored eco-friendly approaches, such as incorporating supplementary cementitious materials and nanoparticles, optimizing binder systems, and assessing chemical activators. These modifications improved mechanical properties and reduced environmental impact, including embodied CO2 emissions. Additionally, the utilization of waste materials like CRT glass showed energy savings and reduced emissions. Studies focused on optimizing UHPC mix designs, emphasizing a balance between performance and environmental impact. Techniques like statistical mixture design methods and dynamic testing assessed UHPC's environmental and economic impacts, highlighting significant energy savings and reduced CO2 emissions with waste material recycling. Overall, the research contributes valuable insights into UHPC development and its ecological footprint in construction

A Review of the Phytochemistry and Biological Activities of Echinopsis Radix

The main varieties of Echinopsis Radix recorded in the Chinese Pharmacopoeia are the roots of Echinops latifolius Tausch or Echinops grijsii Hance. However, the chemical constituents and biological activities of this herb have not been reviewed. In order to clarify the chemical constituents of the main varieties of this herb and improve the quality of Chinese medicinal material resources, this paper systematically reviewed their chemical constituents and related biological activities. Phytochemical investigations reveal eighty-five compounds including fort y-nine thiophenes (1–49), eight flavonoids (50–57), seven caffeic acids and its derivatives (58–64), eight sesquiterpenoids (65–72), and thirteen triterpenoids and other compounds (73–85) were reported from Echinopsis Radix. The review of biological activities suggests that thiophenes are the main secondary metabolites of the medicinal material which exert antitumor, insecticidal and antifungal activities. In addition, caffeic acid and its derivatives and sesquiterpenes are potential active ingredients worthy of further study. This review provides an important scientific basis for the development of active ingredients and resource quality evaluation of Echinopsis Radix.

Enzymatic Reaction Enhanced Diffusion Accelerates Cargo Transport through Micro/Nano-Channels.

Energy conversion and transfer of enzyme-catalyzed reactions at molecular level are an interesting and challenging scientific topic that helps understanding biological processes in nature. In this study, it is demonstrated that enzyme-catalyzed reactions can enhance diffusion of surrounding molecules and thus accelerate cargo transport within 1D micro/nanochannels. Specifically, urease is immobilized on the inner walls of silica micro/nano-tubes to construct bio-catalytically active micro/nanochannels. The catalytic reaction inside the channels drives a variety of cargoes, including small dye molecules, polymers, and rigid nanoparticles (e.g., quantum dots, QDs), to pass through these micro/nanochannels much faster than they will by free diffusion. The enhanced diffusion of molecular species inside the channels is validated by direct observation of the Brownian motion of tracer particles, and further confirmed by significantly enhanced Raman intensity of reporter molecules. Finite element and Brownian dynamics simulations provide a theoretical understanding of these experimental observations. Furthermore, the effect of the channels' size on the diffusion enhancement is examined. The acceleration effect of the cargo transport through these enzymatically active micro/nanochannels can be turned on or off via chemical activators or inhibitors. This study provides valuable insights on the design of biomimetic channels capable of controlled and efficient transmembrane transport.

Research in revealing the effects on Cuscuta chinensis to diarrhea type irritable bowel syndrome based on network pharmacology and molecular docking potential mechanism.

To explore the potential mechanism in Cuscuta sinensis on diarrhea-type irritable bowel syndrome using network pharmacology and molecular docking techniques. First, the active components and related targets of Cuscuta were found setting oral utilization >30% and drug-like properties greater than or equal to 0.18 as filter information from TCMSP database. The targets of diarrheal irritable bowel syndrome were compiled by searching DrugBank, GeneCards, OMIM, PharmGkb, and TTD databases. The intersections of drugs and targets related to the disease were taken for gene ontology enrichment and Kyoto encyclopedia of genes and genomes enrichment analyses, to elucidate the potential molecular mechanisms and pathway information of Cuscuta sinensis for the treatment of diarrheal irritable bowel syndrome. The protein-protein interaction network was constructed by using the STRING database and visualized with Cytoscape_v3.10.0 software to find the protein-protein interaction network core At last, molecular docking was performed to validate the combination of active compounds with the core target. The target information of Cuscuta and diarrhea-type irritable bowel syndrome was compiled, which can be resulted in 11 active compounds such as quercetin, kaempferol, isorhamnetin, β-sitosterol, and another 17 core targets such as TP53, IL6, AKT1, IL1B, TNF, EGFR, etc, whose Kyoto encyclopedia of genes and genomes was enriched in the pathways of lipids and atherosclerosis, chemical carcinogenesis-receptor activation, PI3K-Akt signaling pathway, and fluid shear stress and atherosclerosis, etc. Docking demonstrated that the core targets and the active compounds were able to be better combined. Cuscuta chinensis may exert preventive effects on diarrhea-type irritable bowel syndrome by reducing intestinal inflammation, protecting intestinal mucosa, and playing an important role in antioxidant response through multi-targets and multi-pathways.

Magnesium implants with alternating magnetic field-enhanced hydrogen release and proton depletion for anti-infection treatment and tissue repair

Implant-related osteomyelitis is a formidable hurdle in the clinical setting and is characterized by inflammation, infection, and consequential bone destruction. Therefore, effective reactive oxygen species (ROS) scavenging, bacterial killing, and subsequent bone tissue repair are urgently needed for the treatment of difficult-to-heal osteomyelitis. Herein, we utilized the eddy-thermal effect of magnesium (Mg) implants under an alternating magnetic field (AMF) for the controlled release of H2 gas and ions (OH− and Mg2+) for the treatment of osteomyelitis. H2 released by Mg rods under AMFs effectively scavenged cytotoxic ROS, exhibiting anti-inflammatory effects and consequently disrupting the environment of bacterial infections. In addition, the OH− hindered the energy metabolism of bacteria by effectively neutralizing protons within the microenvironment. Moreover, H2 impaired the permeability of bacterial membranes and expedited the damage induced by OH−. This synergistic AMF-induced H2 and proton depletion treatment approach not only killed both gram-negative and gram-positive bacteria but also effectively treated bacterial infections (abscesses and osteomyelitis). Moreover, Mg2+ released from the Mg rods enhanced and accelerated the process of bone osteogenesis. Overall, our work cleverly exploited the eddy-thermal effect and chemical activity of Mg implants under AMFs, aiming to eliminate the inflammatory environment and combat bacterial infections by the simultaneous release of H2, OH−, and Mg2+, thereby facilitating tissue regeneration. This therapeutic strategy achieved multiple benefits in one, thus presenting a promising avenue for clinical application.

Oocyte size, early development and hybridisation in two sympatric Chilean species of Fissurella (Mollusca: Vetigastropoda) under laboratory conditions

ABSTRACT Fissurella latimarginata and Fissurella cumingi are two sympatric species found along the southwestern coast of South America. We conducted a comparative analysis of oocyte size and their coats between these species and investigated early development using chemically activated gametes. Additionally, heterologous fertilizations were conducted to assess the presence of a reproductive isolation barrier between the species. The mean diameter of the oocyte and gelatinous coat did not show significant differences between species, but there were differences regarding the vitelline coat. However, the practical utility of this trait as taxonomic character for species discrimination is hindered by variance overlap. Chemical activation of gametes enabled homologous fertilizations, resulting in the production of healthy and viable trochophore larvae. Early development, from fertilisation to hatch of these larvae, takes 28.5–45.5 h in both species. Heterologous fertilizations were also successful, resulting in the hatching of trochophore hybrid larvae, indicating effective interactions between the gametes of both species and viable postzygotic larval development. However, further research should focus on determining if there is asymmetry in gametic compatibility, obtaining veliger larvae, or even more advanced ontogenetic stages.

Essential oils of Lauraceae species from Vietnam: An overview chemical profiles and biological activity

Lauraceae is a large family widely distributed in subtropical and tropical regions of the world. More than 250 species belonging to 18 genera of Lauraceae have been recorded in Vietnam. The essential oils (EOs) of some species belonging to genera such as Cinnamomum, Litsea, Phoebe, Machinus, Neolitsea, Dehaasia, Caryodaphnopsis, Lindera etc. collected from Vietnam have been reported to contain many bioactive compounds and possess biological agents. The aim of the present review is to provide comprehensive information on the chemical compositions, larvicidal and antimicrobial activities of the essential oils obtained from Lauraceae plants grown in Vietnam, with the objective of facilitating their further application in pharmaceutical and industrial contexts.

Biochar from co-pyrolysis of biological sludge and woody waste followed by chemical and thermal activation: end-of-waste procedure for sludge management and biochar sorption efficiency for anionic and cationic dyes.

Nine biochars were produced by co-pyrolysis of sawdust and biological sludge following the "design of experiment" approach. Two kinds of sludge (both deriving from the treatment of mixed industrial-municipal wastewater) and two types of woody waste were selected as categorical predicting variables, while contact time, pyrolysis temperature, and sludge percentage were used as quantitative variables. Biochars were analysed for their product characteristics and environmental compatibility based on the European Standards (EN 12915-1:2009) for materials intended for water treatment (i.e. ash content, water leachable polycyclic aromatic hydrocarbons (PAHs) and elements), as well as for specific surface area (SSA), using them as response variables of a multivariate partial least square multiple regression, whose results provided interesting insights on the relationships between pyrolysis conditions and biochar characteristics. Biochars produced with sludge and/or providing the highest SSA values (258-370 m2g-1) were selected to undergo a sustainable chemical treatment using a by-product of the gasification of woody biomass, complying in all cases with European Standards and achieving therefore the end-of-waste status for sewage sludge. The biochar deriving from the highest percentage of sludge (30% by weight) and with the highest SSA (390 m2g-1) was thermally activated achieving SSA of 460 m2g-1 and then tested for the sorption of direct yellow 50 and methylene blue in ultrapure water and real wastewater, compared to a commercial activated carbon (AC). The biochar showed Langmuir sorption maxima (Qm) 2-9 times lower than AC, thus highlighting promising sorption performances. Qm for methylene blue in wastewater (28mg‧g-1) was confirmed by column breakthrough experiments.

Phase-separated droplets swim to their dissolution

Biological macromolecules can condense into liquid domains. In cells, these condensates form membraneless organelles that can organize chemical reactions. However, little is known about the physical consequences of chemical activity in and around condensates. Working with model bovine serum albumin (BSA) condensates, we show that droplets swim along chemical gradients. Active BSA droplets loaded with urease swim toward each other. Passive BSA droplets show diverse responses to externally applied gradients of the enzyme’s substrate and products. In all these cases, droplets swim toward solvent conditions that favor their dissolution. We call this behavior “dialytaxis”, and expect it to be generic, as conditions which favor dissolution typically reduce interfacial tension, whose gradients are well-known to drive droplet motion through the Marangoni effect. These results could potentially suggest alternative physical mechanisms for active transport in living cells, and may enable the design of fluid micro-robots.

Enhancing Cr (VI) Adsorption of Chestnut Shell Biochar through H3PO4 Activation and Nickel Doping

A high-efficiency nickel-doped porous biochar (PCNi3) has been successfully synthesized from chestnut shell waste via a two-step chemical activation treatment with H3PO4. The influences of microstructure, surface morphology, elemental composition, surface functional groups, specific surface area, porosity, pore-size distribution, and chemical properties of the surface state on the removal of Cr (VI) from water were thoroughly investigated by using XRD, FESEM, FTIR, Raman, BET, and XPS testing methods, N2 adsorption, and XPS testing techniques respectively. The results indicate that the treatment of H3PO4 activation and nickel doping can effectively improve microstructure characteristics, thus promoting Cr (VI) adsorption capacity. The effects of initial solution pH, solution concentration, time, and temperature on remediation are revealed. The Cr (VI) uptake experiments imply that the adsorption curves of PCNi3 fit well with the Freundlich model, the pseudo-second-order kinetic model, and the Elovich model. The adsorption process of PCNi3 can be regarded as a spontaneous endothermic reaction limited by diffusion among particles and porosity. The adsorption mechanisms of PCNi3 are ion exchange, complexation, electrostatic adsorption, and coprecipitation with the assistance of surface active sites, porosity, Ni0 particles, and Ni7P3. With these advantages, PCNi3 reveals an extraordinary Cr (VI) removal capacity and a strong ability to reduce Cr (VI) to Cr (III).

Sustainable approach to dye adsorption: hemp-based activated carbon as an effective adsorbent

ABSTRACT In industry, the use of dyes that threaten human health is increasing day by day. RB 19 (Reactive Blue 19, Remazol brilliant blue R), one of the most common dyes that adversely affect natural life, is the subject of this article. In this article, the waste parts of the hemp plant (root, stem and other) were evaluated for use in scientific studies. Hemp wastes were carbonised at 500°C at a heating rate of 10°C/min for 1 hour in the N2 atmosphere. Chemical activation was then carried out with 1:4 potassium hydroxide (KOH) at 800°C under the same conditions. Activated carbon (AC) used as an adsorbent was characterised by elemental analysis (73.3% C, 0.3% H, 0.46% N, 0.02% S and 25.92% O), XRD, SEM, BET and FT-IR analysis. Activated carbon (AC) with 850 μm size, 1858.70 m2/g surface area was obtained by chemical activation of carbonised hemp waste with KOH. SEM images showed that the activated carbon is structurally similar to a honeycomb. Kinetic parameters were analysed with six different equations (Intra Particle Diffusion, Pseudo First, Pseudo Second, Elovich, Avrami, Bangham) and adsorption mechanism with eight different equations (Henry, Langmuir, Freundlich, Temkin, Dubinin-Radushkevich, Koble-Corrigan, Flory-Huggins, Harkin-Jura). According to the calculated diffusion coefficient (19.299), it is concluded that diffusion is externally controlled. The Intra-Particle Diffusion constant (75.34) indicated that the outer adsorption layer of activated carbon was thick. When the correlation coefficients of the equations were examined according to the kinetic analysis results, the highest correlation coefficient was observed in the Pseudo-First kinetic model for all temperatures. However, it was determined that it also fits the Bangham and Avrami models. Since Bangham and Avrami models have high regression coefficients (0.96–0.99), it can be said that adsorption also fits these models. Also, the negative Gibbs Free Energy values indicate that adsorption can occur spontaneously and is thermodynamically favourable.

Effects of Aviation Mutagenesis on Soil Chemical Indexes, Enzyme Activities, and Metabolites of Dahongpao (Camellia sinensis) Tea Trees

Aviation mutagenesis is a breeding method for the rapid selection of superior plant varieties. In this study, rhizosphere soil chemical indexes, soil enzyme activities, and soil metabolites were measured in Dahongpao tea trees with aviation mutagenesis (TM) and without aviation mutagenesis (CK). The main soil metabolites distinguishing TM and CK and their relationships with soil chemical indexes and soil enzyme activities were analyzed and obtained. The results showed that there was no significant change in the rhizosphere soils’ pH of TM tea trees compared to CK (p = 0.91), while all other chemical indexes of TM were significantly higher than CK (p < 0.05). In addition, the activities of enzymes related to soil nutrient cycling such as urease, protease, sucrase, acid phosphatase and cellulase, and enzymes related to soil antioxidants such as superoxide dismutase, catalase, peroxidase, and polyphenol oxidase were significantly increased (p < 0.05) in the rhizosphere soils of TM tea trees compared to CK. Soil metabolite analysis showed that the main soil metabolites distinguishing CK from TM were carbohydrates, nitrogen compounds, and amines. Of these, carbohydrates and nitrogen compounds were significantly positively correlated with soil chemical indexes and soil enzymes, whereas amine was significantly negatively correlated with soil chemical indexes such as organic matter, total nitrogen, total potassium, available nitrogen, available phosphorus; amine showed significant negative correlation with soil enzymes such as catalase, peroxidase, polyphenol oxidase, and urease. It can be seen that aviation mutagenesis is conducive to improving the ability of tea tree rhizosphere aggregation and transformation of soil nutrients, increasing the total amount of soil nutrients and the content of available nutrients, which is more conducive to promoting the uptake of nutrients by the tea tree, and thus promoting the growth of the tea tree.

Chemical Composition, Antioxidant Activity, and Milk-Clotting Activity of Aqueous Extracts from Leaves, Stems, and Flowers of Three Tunisian Ecotypes of Spontaneous and Cultivated Onopordum nervosum ssp. platylepis Murb.: A Potential Novel Vegetable Rennet Option

This study aimed to compare the chemical composition of aqueous extracts from different aerial plant parts (leaves, stems, and flowers) of Onopordum nervosum ssp. platylepis growing in different regions (Sousse, Kairouan, and Nabeul) in Tunisia, as well as their antioxidant and milk-clotting properties for both spontaneously grown and cultivated plants. Results showed that phenolic composition varies significantly among ecotypes and plant organs (p < 0.05), with flowers containing the highest amounts of total phenols and flavonoids in both plant types. The flowers from Nabeul (NA) region showed the highest amounts of total phenols and higher phenolic contents compared to leaves and stems, with 44.75 mg GAE/g and 39.79 mg GAE/g in spontaneous and cultivated plants, respectively. However, flowers of spontaneously plants grown in Sousse (SO) showed the highest total flavonoid contents (11.42 mg QE/g). Additionally, the findings indicated that flowers contained higher concentrations of mono- and disaccharides than leaves and stems. The antioxidant activity showed that the radical scavenging activity of O. platylepis aqueous extracts is significantly affected by the organ and genotype (p < 0.05). NA genotype revealed the highest potency in inhibiting free radicals, with flowers having the lowest IC50s values in 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) tests, registering 0.13 ± 0.02 and 0.14 ± 0.01 mg/mL, respectively. Milk-clotting activity was limited to flowers of this thistle. Moreover, SO and NA genotypes were identified as the most potent populations to coagulate milk in spontaneous and cultivated plants. The principal component analysis confirms the organ and genotype variability in this thistle, with the first two axes explaining 64.15% of the variance and highlighting a distinct flower group. The obtained results suggest that the domestication of this thistle could be useful for the conservation of biodiversity and the promotion of genotypes with potential technological properties.

Romanian Bee Product Analysis: Chemical Composition, Antimicrobial Activity, and Molecular Docking Insights

Bee products are considered true wonders of nature, used since ancient times, and studied even today for their various biological activities. In this study, we hypothesise that Romanian bee products from different origins (micro apiary products, lyophilised forms, commercial) exhibit distinct chemical compositions, influencing their biological activities. An LC-MS analysis revealed varied polyphenolic content patterns, with cumaric acid, ferulic acid, rosmarinic acid, and quercitine identified in significant amounts across all samples. Primary anti-inflammatory evaluation phases, including the inhibition of haemolysis values and protein denaturation, unveiled a range of protective effects on red blood cells (RBC) and blood proteins, contingent upon the sample concentration. Antimicrobial activity assessments against 12 ATCC strains and 6 pathogenic isolates demonstrated varying efficacy, with propolis samples showing low efficacy, royal jelly forms displaying moderate effectiveness, and apilarnin forms exhibiting good inhibitory activity, mostly against Gram-positive bacteria. Notably, the lyophilised form emerged as the most promising sample, yielding the best results across the biological activities assessed. Furthermore, molecular docking was employed to elucidate the inhibitory potential of compounds identified from these bee products by targeting putative bacterial and fungal proteins. Results from the docking analysis showed rosmarinic and rutin exhibited strong binding energies and interactions with the putative antimicrobial proteins of bacteria (−9.7 kcal/mol to −7.6 kcal/mol) and fungi (−9.5 kcal/mol to −8.1 kcal/mol). The findings in this study support the use of bee products for antimicrobial purposes in a biologically active and eco-friendly proportion while providing valuable insights into their mechanism of action.

Theoretically exploring bioinspired enzyme-like [formula omitted] with organic ion axial ligand for electrocatalytic nitrate reduction to ammonia

Electrocatalytically driven reduction of nitrate (NO3−) from NO3−-laden wastewater to ammonia (NH3) has emerged as a promising complementary strategy to the energy-intensive Haber-Bosch process. Herein, based on density functional theory (DFT) calculations, 14 organic ionic groups are found to significantly improve the electrocatalytic reduction of NO3− to NH3 (eNO3RR-to-NH3) activity of typical M−N4−C (M = Fe, Co, and Ni) catalysts by axially ligating metal center, among which Ethyl thiolate axially ligated Co−N4−C exhibits the highest eNO3RR-to-NH3 activity with the limiting potential (UL) of -0.11 V. 4-Mercaptobenzoic acid and Thiophenolate axially ligated Fe−N4−C can inhibit the NN coupling reaction while having high eNO3RR-to-NH3 activity (UL = -0.16, -0.31 V, respectively) and thus have better NH3 selectivity. Furthermore, ΔGH*NO and ICOHP (integrated crystal orbital hamilton populations) between the 3d orbital of M and 2p orbital of N (*NO) atoms show remarkable volcano relationship for L−Fe−N4−C systems and linear relationship with R-Square of 0.83 occurs for L−Co−N4−C systems. There is an excellent linear relationship (R-Square is 0.88) between ICOHP and UL for the L−Co−N4−C systems. Hence, the ICOHP can work as an excellent thermodynamic activity descriptor for eNO3RR-to-NH3 over L−Co−N4−C catalysts. The three catalysts are concluded to be promising electrocatalysts for eNO3RR-to-NH3.